![1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] structure](/static/products/2197/21973-56-8.webp)
1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]
TL;DR: 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] (CAS 21973-56-8) is a chemical compound with molecular formula C12H23NO9S3 and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate
Also Known As: Glucoerucin, 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate], [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate
| Molecular Formula | C12H23NO9S3 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | -0.8143 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.0535 |
| Heavy Atoms | 25 |
| Complexity | 527.924 |
Chemical Identifiers
| CAS Number | 21973-56-8 |
|---|---|
| SMILES | CSCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O |
Product Overview
1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] (CAS 21973-56-8), with molecular formula C12H23NO9S3 and molecular weight 421.05 g/mol. IUPAC: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate.
Chemical Property Profile of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]
Property Insights of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]
The XLogP value of -0.8143 indicates that 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.11 Ų indicates high polarity, suggesting 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]?
The CAS number of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] is 21973-56-8.
What is the molecular formula of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]?
The molecular formula of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] is C12H23NO9S3.
What is the molecular weight of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]?
The molecular weight of 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] is 421.05 g/mol.
Where can I buy 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]?
You can request a quote for 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]?
Yes, KEHONG BIO provides custom synthesis services for 1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.